2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine

C11H23NO2 — CID 105147172

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
SMILESCC(C)(C)OCC(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-10(12)9-4-6-13-7-5-9/h9-10H,4-8,12H2,1-3H3
InChIKeyLBSMEOMCKSFOQN-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine

2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine (PubChem CID 105147172) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
PubChem CID105147172
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
SMILESCC(C)(C)OCC(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-8-10(12)9-4-6-13-7-5-9/h9-10H,4-8,12H2,1-3H3
InChIKeyLBSMEOMCKSFOQN-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanamine
CID 104748924
1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215269
2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 116726362
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935479
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491
2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine (CID 105147172) is 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine is CC(C)(C)OCC(N)C1CCOCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine?
The InChIKey is LBSMEOMCKSFOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)14-8-10(12)9-4-6-13-7-5-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine?
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105147172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).